4-methoxy-1-methyl-5-piperidin-4-ylindole

C15H20N2O — CID 82622478

IUPAC4-methoxy-1-methyl-5-piperidin-4-ylindole
SMILESCOc1c(C2CCNCC2)ccc2c1ccn2C
InChIInChI=1S/C15H20N2O/c1-17-10-7-13-14(17)4-3-12(15(13)18-2)11-5-8-16-9-6-11/h3-4,7,10-11,16H,5-6,8-9H2,1-2H3
InChIKeyGIOAAJJOTMYMMK-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.65
Rot. Bonds2

About 4-methoxy-1-methyl-5-piperidin-4-ylindole

4-methoxy-1-methyl-5-piperidin-4-ylindole (PubChem CID 82622478) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-methoxy-1-methyl-5-piperidin-4-ylindole.

Molecular Properties

Compound Name4-methoxy-1-methyl-5-piperidin-4-ylindole
PubChem CID82622478
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name4-methoxy-1-methyl-5-piperidin-4-ylindole
SMILESCOc1c(C2CCNCC2)ccc2c1ccn2C
InChIInChI=1S/C15H20N2O/c1-17-10-7-13-14(17)4-3-12(15(13)18-2)11-5-8-16-9-6-11/h3-4,7,10-11,16H,5-6,8-9H2,1-2H3
InChIKeyGIOAAJJOTMYMMK-UHFFFAOYSA-N
XLogP2.65
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 5280953
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Psilocin
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Arvelexin
CID 119406
5-Methoxy-N,N-Diisopropyltryptamine
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5-Methoxy 3-(1,2,3,6-tetrahydro-4-pyridinyl)1H indole
CID 108029
Harmine Hydrochloride
CID 5359389
5-Methoxy-N,N-dimethyl-1H-indole-3-methanamine
CID 27965
5-MeO-DALT
CID 50878551
5-Methoxy-N-Methyltryptamine
CID 16184
4-Methoxy-1H-indole
CID 138363

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-methyl-5-piperidin-4-ylindole?
The IUPAC name of 4-methoxy-1-methyl-5-piperidin-4-ylindole (CID 82622478) is 4-methoxy-1-methyl-5-piperidin-4-ylindole.
What is the SMILES notation for 4-methoxy-1-methyl-5-piperidin-4-ylindole?
The canonical SMILES for 4-methoxy-1-methyl-5-piperidin-4-ylindole is COc1c(C2CCNCC2)ccc2c1ccn2C.
What is the InChIKey of 4-methoxy-1-methyl-5-piperidin-4-ylindole?
The InChIKey is GIOAAJJOTMYMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-17-10-7-13-14(17)4-3-12(15(13)18-2)11-5-8-16-9-6-11/h3-4,7,10-11,16H,5-6,8-9H2,1-2H3.
What are the key properties of 4-methoxy-1-methyl-5-piperidin-4-ylindole?
4-methoxy-1-methyl-5-piperidin-4-ylindole has a molecular weight of 244.34 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-methyl-5-piperidin-4-ylindole is sourced from PubChem (CID 82622478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).